Geometry & MOs

Info

ID:	123378
PubChem CID:	50844674
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	425.132174
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	4.21
IP(EA), eV:	-8.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4-fluorophenyl)-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C=CS3)N=C2N4CCCCC4

DOS

IR

Vibrations